ethyl 2,5-dimethyl-4-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[4-[3-(2-methylpropanoylamino)phenyl]-1-piperidyl]methyl]-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[4-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-1-piperidinyl]methyl]-1-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1-phenylpyrrole-3-carboxylate Traditional Name: 4-[[4-[3-(isobutyrylamino)phenyl]piperidino]methyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C31H39N3O3 MolecularWeight: 501.65966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1CN2CCC(CC2)C3=CC(=CC=C3)NC(=O)C(C)C)C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1CN2CCC(CC2)C3=CC(=CC=C3)NC(=O)C(C)C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C31H39N3O3/c1-6-37-31(36)29-23(5)34(27-13-8-7-9-14-27)22(4)28(29)20-33-17-15-24(16-18-33)25-11-10-12-26(19-25)32-30(35)21(2)3/h7-14,19,21,24H,6,15-18,20H2,1-5H3,(H,32,35)